N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C105H76N2 — CID 164949136

IUPACN-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILES[2H]c1c([2H])c(C)c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c4c(c3[2H])C(C)(C)c3c([2H])c([2H])c([2H])c([2H])c3-4)c3c([2H])c([2H])c4c(c3[2H])C3(c5c([2H])c([2H])c([2H])c([2H])c5-c5c([2H])c([2H])c([2H])c([2H])c53)c3c([2H])c([2H])c([2H])c([2H])c3-4)c([2H])c2[2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c([2H])c1C2(C)C
InChIInChI=1S/C53H39N.C52H37N/c1-34-13-12-14-36(31-34)35-23-25-37(26-24-35)54(38-27-29-44-40-15-4-8-19-46(40)52(2,3)50(44)32-38)39-28-30-45-43-18-7-11-22-49(43)53(51(45)33-39)47-20-9-5-16-41(47)42-17-6-10-21-48(42)53;1-51(2)45-20-10-6-16-39(45)43-30-28-37(32-49(43)51)53(36-26-24-35(25-27-36)34-14-4-3-5-15-34)38-29-31-44-42-19-9-13-23-48(42)52(50(44)33-38)46-21-11-7-17-40(46)41-18-8-12-22-47(41)52/h4-33H,1-3H3;3-33H,1-2H3/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D;6D,10D,16D,20D,28D,30D,32D
InChIKeyAHBDFDIABNHCEY-AASFLFGPSA-N
MW1403.00 g/mol
LogP27.25
Rot. Bonds8

About N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 164949136) has the molecular formula C105H76N2 and a molecular weight of 1403.00 g/mol. Its IUPAC name is N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID164949136
Molecular FormulaC105H76N2
Molecular Weight1403.00 g/mol
Exact Mass1401.83
IUPAC NameN-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILES[2H]c1c([2H])c(C)c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c4c(c3[2H])C(C)(C)c3c([2H])c([2H])c([2H])c([2H])c3-4)c3c([2H])c([2H])c4c(c3[2H])C3(c5c([2H])c([2H])c([2H])c([2H])c5-c5c([2H])c([2H])c([2H])c([2H])c53)c3c([2H])c([2H])c([2H])c([2H])c3-4)c([2H])c2[2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c([2H])c1C2(C)C
InChIInChI=1S/C53H39N.C52H37N/c1-34-13-12-14-36(31-34)35-23-25-37(26-24-35)54(38-27-29-44-40-15-4-8-19-46(40)52(2,3)50(44)32-38)39-28-30-45-43-18-7-11-22-49(43)53(51(45)33-39)47-20-9-5-16-41(47)42-17-6-10-21-48(42)53;1-51(2)45-20-10-6-16-39(45)43-30-28-37(32-49(43)51)53(36-26-24-35(25-27-36)34-14-4-3-5-15-34)38-29-31-44-42-19-9-13-23-48(42)52(50(44)33-38)46-21-11-7-17-40(46)41-18-8-12-22-47(41)52/h4-33H,1-3H3;3-33H,1-2H3/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D;6D,10D,16D,20D,28D,30D,32D
InChIKeyAHBDFDIABNHCEY-AASFLFGPSA-N
XLogP27.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001403.00
LogP ≤ 527.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 171450978
9,9-dimethyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine;1,3,4,5,6,7,8-heptadeuterio-9,9-dimethyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine;1,3,4,5,6,7,8-heptadeuterio-9-methyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9-(trideuteriomethyl)fluoren-2-amine
CID 167563853
9,9-dimethyl-N-phenyl-N-[4-[4-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine
CID 163994090
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791446
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline
CID 160581695
1,3,4,5,6,7,8-heptadeuterio-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171461488
2-N'-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791398
N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine
CID 164783522
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
2-N-(9,9-dimethylfluoren-3-yl)-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791512

Frequently Asked Questions

What is the IUPAC name of N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 164949136) is N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is [2H]c1c([2H])c(C)c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c4c(c3[2H])C(C)(C)c3c([2H])c([2H])c([2H])c([2H])c3-4)c3c([2H])c([2H])c4c(c3[2H])C3(c5c([2H])c([2H])c([2H])c([2H])c5-c5c([2H])c([2H])c([2H])c([2H])c53)c3c([2H])c([2H])c([2H])c([2H])c3-4)c([2H])c2[2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c([2H])c1C2(C)C.
What is the InChIKey of N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is AHBDFDIABNHCEY-AASFLFGPSA-N. The full InChI is InChI=1S/C53H39N.C52H37N/c1-34-13-12-14-36(31-34)35-23-25-37(26-24-35)54(38-27-29-44-40-15-4-8-19-46(40)52(2,3)50(44)32-38)39-28-30-45-43-18-7-11-22-49(43)53(51(45)33-39)47-20-9-5-16-41(47)42-17-6-10-21-48(42)53;1-51(2)45-20-10-6-16-39(45)43-30-28-37(32-49(43)51)53(36-26-24-35(25-27-36)34-14-4-3-5-15-34)38-29-31-44-42-19-9-13-23-48(42)52(50(44)33-38)46-21-11-7-17-40(46)41-18-8-12-22-47(41)52/h4-33H,1-3H3;3-33H,1-2H3/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D;6D,10D,16D,20D,28D,30D,32D.
What are the key properties of N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1403.00 g/mol, XLogP of 27.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-2-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 164949136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).