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

C111H80N6 — CID 137443923

About 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

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 (PubChem CID 137443923) has the molecular formula C111H80N6 and a molecular weight of 1497.90 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 137443923
• Molecular Formula: C111H80N6
• Molecular Weight: 1497.90 g/mol
• Exact Mass: 1496.64
• IUPAC Name: 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
• SMILES: CC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C6C=CC=CC6N7c6ccccc6)cc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21
• InChI: InChI=1S/C111H80N6/c1-111(2)103-71-82(50-65-95(103)96-66-62-94(74-104(96)111)114(90-52-40-76(41-53-90)75-24-8-3-9-25-75)91-58-46-79(47-59-91)81-51-67-108-100(70-81)97-34-18-21-37-105(97)115(108)84-28-12-5-13-29-84)80-48-60-89(61-49-80)113(93-64-69-110-102(73-93)99-36-20-23-39-107(99)117(110)86-32-16-7-17-33-86)88-56-44-78(45-57-88)77-42-54-87(55-43-77)112(83-26-10-4-11-27-83)92-63-68-109-101(72-92)98-35-19-22-38-106(98)116(109)85-30-14-6-15-31-85/h3-74,98,106H,1-2H3
• InChIKey: IONHUQWGNMWAQQ-UHFFFAOYSA-N
• XLogP: 29.99
• TPSA: 22.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1497.90
LogP ≤ 5	29.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C6C=CC=CC6N7c6ccccc6)cc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.

What is the InChIKey of 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?

The InChIKey is IONHUQWGNMWAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H80N6/c1-111(2)103-71-82(50-65-95(103)96-66-62-94(74-104(96)111)114(90-52-40-76(41-53-90)75-24-8-3-9-25-75)91-58-46-79(47-59-91)81-51-67-108-100(70-81)97-34-18-21-37-105(97)115(108)84-28-12-5-13-29-84)80-48-60-89(61-49-80)113(93-64-69-110-102(73-93)99-36-20-23-39-107(99)117(110)86-32-16-7-17-33-86)88-56-44-78(45-57-88)77-42-54-87(55-43-77)112(83-26-10-4-11-27-83)92-63-68-109-101(72-92)98-35-19-22-38-106(98)116(109)85-30-14-6-15-31-85/h3-74,98,106H,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 1497.90 g/mol, XLogP of 29.99, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 137443923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).