3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-(4-phenanthren-2-ylphenyl)aniline

C60H46N2 — CID 166660469

IUPAC3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-(4-phenanthren-2-ylphenyl)aniline
SMILESCC1C=CC=CC1N(c1ccc(-c2ccc3c(ccc4ccccc43)c2)cc1)c1cccc(-c2cccc3c2c2ccccc2n3-c2cccc3c2C(C)(C)c2ccccc2-3)c1
InChIInChI=1S/C60H46N2/c1-39-15-4-10-25-54(39)61(45-34-31-40(32-35-45)42-33-36-48-44(37-42)30-29-41-16-5-6-19-47(41)48)46-18-12-17-43(38-46)49-22-13-27-56-58(49)52-21-8-11-26-55(52)62(56)57-28-14-23-51-50-20-7-9-24-53(50)60(2,3)59(51)57/h4-39,54H,1-3H3
InChIKeyNYEZMHLIIWDRLG-UHFFFAOYSA-N
MW795.04 g/mol
LogP16.00
Rot. Bonds6

About 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-(4-phenanthren-2-ylphenyl)aniline

3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-(4-phenanthren-2-ylphenyl)aniline (PubChem CID 166660469) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-(4-phenanthren-2-ylphenyl)aniline.

Molecular Properties

Compound Name3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-(4-phenanthren-2-ylphenyl)aniline
PubChem CID166660469
Molecular FormulaC60H46N2
Molecular Weight795.04 g/mol
Exact Mass794.37
IUPAC Name3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-(4-phenanthren-2-ylphenyl)aniline
SMILESCC1C=CC=CC1N(c1ccc(-c2ccc3c(ccc4ccccc43)c2)cc1)c1cccc(-c2cccc3c2c2ccccc2n3-c2cccc3c2C(C)(C)c2ccccc2-3)c1
InChIInChI=1S/C60H46N2/c1-39-15-4-10-25-54(39)61(45-34-31-40(32-35-45)42-33-36-48-44(37-42)30-29-41-16-5-6-19-47(41)48)46-18-12-17-43(38-46)49-22-13-27-56-58(49)52-21-8-11-26-55(52)62(56)57-28-14-23-51-50-20-7-9-24-53(50)60(2,3)59(51)57/h4-39,54H,1-3H3
InChIKeyNYEZMHLIIWDRLG-UHFFFAOYSA-N
XLogP16.00
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.04
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 166660203
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660384
N-(6-methylcyclohexa-2,4-dien-1-yl)-N-phenyl-3-spiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene-15,9'-fluorene]-3'-ylaniline
CID 90270092
3-(9-phenanthren-2-ylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 166660209
4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
CID 167322421
3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660105
N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 166659919
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline
CID 166660351
N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine
CID 167195270
5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 171414844
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 166659757
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167330357

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-(4-phenanthren-2-ylphenyl)aniline?
The IUPAC name of 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-(4-phenanthren-2-ylphenyl)aniline (CID 166660469) is 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-(4-phenanthren-2-ylphenyl)aniline.
What is the SMILES notation for 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-(4-phenanthren-2-ylphenyl)aniline?
The canonical SMILES for 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-(4-phenanthren-2-ylphenyl)aniline is CC1C=CC=CC1N(c1ccc(-c2ccc3c(ccc4ccccc43)c2)cc1)c1cccc(-c2cccc3c2c2ccccc2n3-c2cccc3c2C(C)(C)c2ccccc2-3)c1.
What is the InChIKey of 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-(4-phenanthren-2-ylphenyl)aniline?
The InChIKey is NYEZMHLIIWDRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2/c1-39-15-4-10-25-54(39)61(45-34-31-40(32-35-45)42-33-36-48-44(37-42)30-29-41-16-5-6-19-47(41)48)46-18-12-17-43(38-46)49-22-13-27-56-58(49)52-21-8-11-26-55(52)62(56)57-28-14-23-51-50-20-7-9-24-53(50)60(2,3)59(51)57/h4-39,54H,1-3H3.
What are the key properties of 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-(4-phenanthren-2-ylphenyl)aniline?
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-(4-phenanthren-2-ylphenyl)aniline has a molecular weight of 795.04 g/mol, XLogP of 16.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-(4-phenanthren-2-ylphenyl)aniline is sourced from PubChem (CID 166660469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).