9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine

C67H48N2 — CID 90393592

IUPAC9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine

SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)c4)c3)cc21

InChIInChI=1S/C67H48N2/c1-67(2)63-27-10-8-24-59(63)60-39-38-56(44-64(60)67)68(53-36-31-48(32-37-53)58-26-14-18-47-17-6-7-23-57(47)58)55-22-13-21-51(42-55)49-19-12-20-50(41-49)52-33-40-66-62(43-52)61-25-9-11-28-65(61)69(66)54-34-29-46(30-35-54)45-15-4-3-5-16-45/h3-44H,1-2H3

InChIKeyYTMSVWFZLQFCNX-UHFFFAOYSA-N

MW881.14 g/mol

LogP18.38

Rot. Bonds8

About 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine (PubChem CID 90393592) has the molecular formula C67H48N2 and a molecular weight of 881.14 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name	9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
PubChem CID	90393592
Molecular Formula	C67H48N2
Molecular Weight	881.14 g/mol
Exact Mass	880.38
IUPAC Name	9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
SMILES	CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)c4)c3)cc21
InChI	InChI=1S/C67H48N2/c1-67(2)63-27-10-8-24-59(63)60-39-38-56(44-64(60)67)68(53-36-31-48(32-37-53)58-26-14-18-47-17-6-7-23-57(47)58)55-22-13-21-51(42-55)49-19-12-20-50(41-49)52-33-40-66-62(43-52)61-25-9-11-28-65(61)69(66)54-34-29-46(30-35-54)45-15-4-3-5-16-45/h3-44H,1-2H3
InChIKey	YTMSVWFZLQFCNX-UHFFFAOYSA-N
XLogP	18.38
TPSA	8.17 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	8
Heavy Atoms	69
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.14
LogP ≤ 5	18.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine (CID 90393592) is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)c4)c3)cc21.

What is the InChIKey of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine?

The InChIKey is YTMSVWFZLQFCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N2/c1-67(2)63-27-10-8-24-59(63)60-39-38-56(44-64(60)67)68(53-36-31-48(32-37-53)58-26-14-18-47-17-6-7-23-57(47)58)55-22-13-21-51(42-55)49-19-12-20-50(41-49)52-33-40-66-62(43-52)61-25-9-11-28-65(61)69(66)54-34-29-46(30-35-54)45-15-4-3-5-16-45/h3-44H,1-2H3.

What are the key properties of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine?

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine has a molecular weight of 881.14 g/mol, XLogP of 18.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 90393592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).