N-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine

C57H45N — CID 170449270

IUPACN-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1cc2c(cc1-c1cc3c(cc1N(c1ccccc1)c1ccc4c(c1)C(C)(C)c1ccccc1-4)C1(c4ccccc4-c4ccccc41)c1ccccc1-3)CCCC2
InChIInChI=1S/C57H45N/c1-36-31-37-17-7-8-18-38(37)32-46(36)48-34-47-44-24-12-16-28-52(44)57(50-26-14-10-22-42(50)43-23-11-15-27-51(43)57)54(47)35-55(48)58(39-19-5-4-6-20-39)40-29-30-45-41-21-9-13-25-49(41)56(2,3)53(45)33-40/h4-6,9-16,19-35H,7-8,17-18H2,1-3H3
InChIKeySESRZYJRMFRJDE-UHFFFAOYSA-N
MW743.99 g/mol
LogP14.66
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine

N-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170449270) has the molecular formula C57H45N and a molecular weight of 743.99 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID170449270
Molecular FormulaC57H45N
Molecular Weight743.99 g/mol
Exact Mass743.36
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1cc2c(cc1-c1cc3c(cc1N(c1ccccc1)c1ccc4c(c1)C(C)(C)c1ccccc1-4)C1(c4ccccc4-c4ccccc41)c1ccccc1-3)CCCC2
InChIInChI=1S/C57H45N/c1-36-31-37-17-7-8-18-38(37)32-46(36)48-34-47-44-24-12-16-28-52(44)57(50-26-14-10-22-42(50)43-23-11-15-27-51(43)57)54(47)35-55(48)58(39-19-5-4-6-20-39)40-29-30-45-41-21-9-13-25-49(41)56(2,3)53(45)33-40/h4-6,9-16,19-35H,7-8,17-18H2,1-3H3
InChIKeySESRZYJRMFRJDE-UHFFFAOYSA-N
XLogP14.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.99
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170446758
9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170446751
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447564
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170445420
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448848
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170446806
9,9-dimethyl-3-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170446938
9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445163
N-(9,9-dimethylfluoren-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448968
9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445422
N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 153433790
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445211

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine (CID 170449270) is N-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine is Cc1cc2c(cc1-c1cc3c(cc1N(c1ccccc1)c1ccc4c(c1)C(C)(C)c1ccccc1-4)C1(c4ccccc4-c4ccccc41)c1ccccc1-3)CCCC2.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is SESRZYJRMFRJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H45N/c1-36-31-37-17-7-8-18-38(37)32-46(36)48-34-47-44-24-12-16-28-52(44)57(50-26-14-10-22-42(50)43-23-11-15-27-51(43)57)54(47)35-55(48)58(39-19-5-4-6-20-39)40-29-30-45-41-21-9-13-25-49(41)56(2,3)53(45)33-40/h4-6,9-16,19-35H,7-8,17-18H2,1-3H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
N-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 743.99 g/mol, XLogP of 14.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170449270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).