N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine

C103H78N4 — CID 163747125

About N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine

N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine (PubChem CID 163747125) has the molecular formula C103H78N4 and a molecular weight of 1371.78 g/mol. Its IUPAC name is N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
• PubChem CID: 163747125
• Molecular Formula: C103H78N4
• Molecular Weight: 1371.78 g/mol
• Exact Mass: 1370.62
• IUPAC Name: N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
• SMILES: CC1(C)C2=CC(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)=CCC2c2ccc(-c3ccc4c5cc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccc67)ccc5n(-c5ccccc5)c4c3)cc21
• InChI: InChI=1S/C103H78N4/c1-101(2)90-35-21-18-31-79(90)82-51-46-74(62-93(82)101)104(73-44-38-65(39-45-73)66-42-55-98-88(58-66)86-34-20-23-37-96(86)106(98)71-26-12-8-13-27-71)75-47-52-84-81-49-40-67(60-92(81)103(5,6)95(84)63-75)68-41-50-87-89-59-69(43-56-99(89)107(100(87)61-68)72-28-14-9-15-29-72)77-54-57-97(85-33-17-16-30-78(77)85)105(70-24-10-7-11-25-70)76-48-53-83-80-32-19-22-36-91(80)102(3,4)94(83)64-76/h7-51,53-64,84H,52H2,1-6H3
• InChIKey: LMVDONAYIXKRIA-UHFFFAOYSA-N
• XLogP: 27.54
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1371.78
LogP ≤ 5	27.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

The IUPAC name of N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine (CID 163747125) is N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

The canonical SMILES for N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine is CC1(C)C2=CC(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)=CCC2c2ccc(-c3ccc4c5cc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccc67)ccc5n(-c5ccccc5)c4c3)cc21.

What is the InChIKey of N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

The InChIKey is LMVDONAYIXKRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H78N4/c1-101(2)90-35-21-18-31-79(90)82-51-46-74(62-93(82)101)104(73-44-38-65(39-45-73)66-42-55-98-88(58-66)86-34-20-23-37-96(86)106(98)71-26-12-8-13-27-71)75-47-52-84-81-49-40-67(60-92(81)103(5,6)95(84)63-75)68-41-50-87-89-59-69(43-56-99(89)107(100(87)61-68)72-28-14-9-15-29-72)77-54-57-97(85-33-17-16-30-78(77)85)105(70-24-10-7-11-25-70)76-48-53-83-80-32-19-22-36-91(80)102(3,4)94(83)64-76/h7-51,53-64,84H,52H2,1-6H3.

What are the key properties of N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine has a molecular weight of 1371.78 g/mol, XLogP of 27.54, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 163747125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).