N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine

C60H46N2 — CID 89196889

IUPACN-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine
SMILESCc1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccc(N6c7ccccc7C7C=CC=CC76)cc5)ccc3-4)c2c1
InChIInChI=1S/C60H46N2/c1-39-26-33-52-53(36-39)59(51-23-11-10-22-50(51)58(52)40-16-6-4-7-17-40)41-27-34-46-47-35-32-45(38-55(47)60(2,3)54(46)37-41)61(42-18-8-5-9-19-42)43-28-30-44(31-29-43)62-56-24-14-12-20-48(56)49-21-13-15-25-57(49)62/h4-38,48,56H,1-3H3
InChIKeyDLGFCBKVUAMDAV-UHFFFAOYSA-N
MW795.04 g/mol
LogP16.14
Rot. Bonds6

About N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine

N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine (PubChem CID 89196889) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine
PubChem CID89196889
Molecular FormulaC60H46N2
Molecular Weight795.04 g/mol
Exact Mass794.37
IUPAC NameN-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine
SMILESCc1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccc(N6c7ccccc7C7C=CC=CC76)cc5)ccc3-4)c2c1
InChIInChI=1S/C60H46N2/c1-39-26-33-52-53(36-39)59(51-23-11-10-22-50(51)58(52)40-16-6-4-7-17-40)41-27-34-46-47-35-32-45(38-55(47)60(2,3)54(46)37-41)61(42-18-8-5-9-19-42)43-28-30-44(31-29-43)62-56-24-14-12-20-48(56)49-21-13-15-25-57(49)62/h4-38,48,56H,1-3H3
InChIKeyDLGFCBKVUAMDAV-UHFFFAOYSA-N
XLogP16.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.04
LogP ≤ 516.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168721277
N-[4-[9,9-dimethyl-7-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)fluoren-2-yl]phenyl]-9-phenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 137443923
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-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
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144896810
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
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
3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 155205314
7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 153018330
4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline
CID 170261145
9-(4-methylphenyl)-4a,9a-dihydrocarbazole
CID 70834076
6-[3-[4-[7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129075493

Frequently Asked Questions

What is the IUPAC name of N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine?
The IUPAC name of N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine (CID 89196889) is N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine?
The canonical SMILES for N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine is Cc1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccc(N6c7ccccc7C7C=CC=CC76)cc5)ccc3-4)c2c1.
What is the InChIKey of N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine?
The InChIKey is DLGFCBKVUAMDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2/c1-39-26-33-52-53(36-39)59(51-23-11-10-22-50(51)58(52)40-16-6-4-7-17-40)41-27-34-46-47-35-32-45(38-55(47)60(2,3)54(46)37-41)61(42-18-8-5-9-19-42)43-28-30-44(31-29-43)62-56-24-14-12-20-48(56)49-21-13-15-25-57(49)62/h4-38,48,56H,1-3H3.
What are the key properties of N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine?
N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine has a molecular weight of 795.04 g/mol, XLogP of 16.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine is sourced from PubChem (CID 89196889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).