2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine

C67H54N4 — CID 58969350

IUPAC2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)ccc2-3)cc1
InChIInChI=1S/C67H54N4/c1-43-17-33-63-57(37-43)58-38-44(2)18-34-64(58)70(63)51-25-21-49(22-26-51)68(47-13-9-7-10-14-47)53-29-31-55-56-32-30-54(42-62(56)67(5,6)61(55)41-53)69(48-15-11-8-12-16-48)50-23-27-52(28-24-50)71-65-35-19-45(3)39-59(65)60-40-46(4)20-36-66(60)71/h7-42H,1-6H3
InChIKeyUCHISXMCMARHLM-UHFFFAOYSA-N
MW915.20 g/mol
LogP18.36
Rot. Bonds8

About 2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine

2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine (PubChem CID 58969350) has the molecular formula C67H54N4 and a molecular weight of 915.20 g/mol. Its IUPAC name is 2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
PubChem CID58969350
Molecular FormulaC67H54N4
Molecular Weight915.20 g/mol
Exact Mass914.43
IUPAC Name2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)ccc2-3)cc1
InChIInChI=1S/C67H54N4/c1-43-17-33-63-57(37-43)58-38-44(2)18-34-64(58)70(63)51-25-21-49(22-26-51)68(47-13-9-7-10-14-47)53-29-31-55-56-32-30-54(42-62(56)67(5,6)61(55)41-53)69(48-15-11-8-12-16-48)50-23-27-52(28-24-50)71-65-35-19-45(3)39-59(65)60-40-46(4)20-36-66(60)71/h7-42H,1-6H3
InChIKeyUCHISXMCMARHLM-UHFFFAOYSA-N
XLogP18.36
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.20
LogP ≤ 518.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-N,9-bis(4-methylphenyl)carbazol-3-amine
CID 58383998
N-(4-carbazol-9-ylphenyl)-7-[10-(9,9-dimethylfluoren-2-yl)-2-methylanthracen-9-yl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 161254019
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-7-[2-methyl-10-(2-phenylphenyl)anthracen-9-yl]-N-phenylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-7-[3-methyl-10-(2-phenylphenyl)anthracen-9-yl]-N-phenylfluoren-2-amine
CID 160917287
N-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 155472317
7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
CID 59246344
4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline
CID 170261145
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 71038279
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;N,9-diphenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 159625634
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6-methyl-9-phenylcarbazol-3-yl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 58384021
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-phenylphenyl)fluorene-2,7-diamine;7-(3,6-diphenylcarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158713660
N-(4-carbazol-9-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-N-phenylnaphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-N-phenylnaphthalen-1-amine
CID 161429717

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine?
The IUPAC name of 2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine (CID 58969350) is 2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)ccc2-3)cc1.
What is the InChIKey of 2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine?
The InChIKey is UCHISXMCMARHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H54N4/c1-43-17-33-63-57(37-43)58-38-44(2)18-34-64(58)70(63)51-25-21-49(22-26-51)68(47-13-9-7-10-14-47)53-29-31-55-56-32-30-54(42-62(56)67(5,6)61(55)41-53)69(48-15-11-8-12-16-48)50-23-27-52(28-24-50)71-65-35-19-45(3)39-59(65)60-40-46(4)20-36-66(60)71/h7-42H,1-6H3.
What are the key properties of 2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine?
2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine has a molecular weight of 915.20 g/mol, XLogP of 18.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine is sourced from PubChem (CID 58969350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).