N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine

C67H49N — CID 171402066

IUPACN-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3c(cc5c(c3-c3ccccc3)-c3ccccc3C5(C)C)C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C67H49N/c1-65(2)54-27-15-11-23-48(54)51-37-35-47(40-59(51)65)68(45-33-31-43(32-34-45)42-19-7-5-8-20-42)46-36-38-58-53(39-46)64-61(67(58)56-29-17-12-24-49(56)50-25-13-18-30-57(50)67)41-60-63(62(64)44-21-9-6-10-22-44)52-26-14-16-28-55(52)66(60,3)4/h5-41H,1-4H3
InChIKeyWVUZVKDYOICCGJ-UHFFFAOYSA-N
MW868.14 g/mol
LogP17.45
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine

N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine (PubChem CID 171402066) has the molecular formula C67H49N and a molecular weight of 868.14 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine
PubChem CID171402066
Molecular FormulaC67H49N
Molecular Weight868.14 g/mol
Exact Mass867.39
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3c(cc5c(c3-c3ccccc3)-c3ccccc3C5(C)C)C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C67H49N/c1-65(2)54-27-15-11-23-48(54)51-37-35-47(40-59(51)65)68(45-33-31-43(32-34-45)42-19-7-5-8-20-42)46-36-38-58-53(39-46)64-61(67(58)56-29-17-12-24-49(56)50-25-13-18-30-57(50)67)41-60-63(62(64)44-21-9-6-10-22-44)52-26-14-16-28-55(52)66(60,3)4/h5-41H,1-4H3
InChIKeyWVUZVKDYOICCGJ-UHFFFAOYSA-N
XLogP17.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.14
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-N,5'-diphenylspiro[fluorene-9,10'-indeno[2,1-b]fluorene]-8'-amine
CID 171401786
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
CID 171402038
CID 171402038
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
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663855
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
3-[4-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 167117925
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine
CID 169280346
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine
CID 171401760
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 129259092

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine (CID 171402066) is N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3c(cc5c(c3-c3ccccc3)-c3ccccc3C5(C)C)C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine?
The InChIKey is WVUZVKDYOICCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H49N/c1-65(2)54-27-15-11-23-48(54)51-37-35-47(40-59(51)65)68(45-33-31-43(32-34-45)42-19-7-5-8-20-42)46-36-38-58-53(39-46)64-61(67(58)56-29-17-12-24-49(56)50-25-13-18-30-57(50)67)41-60-63(62(64)44-21-9-6-10-22-44)52-26-14-16-28-55(52)66(60,3)4/h5-41H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine?
N-(9,9-dimethylfluoren-2-yl)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine has a molecular weight of 868.14 g/mol, XLogP of 17.45, 5 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)-12',12'-dimethyl-5'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[2,1-b]fluorene]-7'-amine is sourced from PubChem (CID 171402066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).