N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine

C61H42N2O — CID 118198554

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine

SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)c6cccc7ccccc67)cc5)ccc43)cc21

InChIInChI=1S/C61H42N2O/c1-61(2)54-18-8-5-15-48(54)49-33-32-46(38-55(49)61)63-57-19-9-6-16-50(57)52-36-42(26-34-58(52)63)39-22-28-44(29-23-39)62(56-20-11-13-41-12-3-4-14-47(41)56)45-30-24-40(25-31-45)43-27-35-60-53(37-43)51-17-7-10-21-59(51)64-60/h3-38H,1-2H3

InChIKeyPVNNVQJVFSRCFA-UHFFFAOYSA-N

MW819.02 g/mol

LogP16.95

Rot. Bonds6

About N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine

N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine (PubChem CID 118198554) has the molecular formula C61H42N2O and a molecular weight of 819.02 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound Name	N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
PubChem CID	118198554
Molecular Formula	C61H42N2O
Molecular Weight	819.02 g/mol
Exact Mass	818.33
IUPAC Name	N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
SMILES	CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)c6cccc7ccccc67)cc5)ccc43)cc21
InChI	InChI=1S/C61H42N2O/c1-61(2)54-18-8-5-15-48(54)49-33-32-46(38-55(49)61)63-57-19-9-6-16-50(57)52-36-42(26-34-58(52)63)39-22-28-44(29-23-39)62(56-20-11-13-41-12-3-4-14-47(41)56)45-30-24-40(25-31-45)43-27-35-60-53(37-43)51-17-7-10-21-59(51)64-60/h3-38H,1-2H3
InChIKey	PVNNVQJVFSRCFA-UHFFFAOYSA-N
XLogP	16.95
TPSA	21.31 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	64
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.02
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Related Compounds

Frequently Asked Questions

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

The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine (CID 118198554) is N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine.

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

The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)c6cccc7ccccc67)cc5)ccc43)cc21.

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

The InChIKey is PVNNVQJVFSRCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2O/c1-61(2)54-18-8-5-15-48(54)49-33-32-46(38-55(49)61)63-57-19-9-6-16-50(57)52-36-42(26-34-58(52)63)39-22-28-44(29-23-39)62(56-20-11-13-41-12-3-4-14-47(41)56)45-30-24-40(25-31-45)43-27-35-60-53(37-43)51-17-7-10-21-59(51)64-60/h3-38H,1-2H3.

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

N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine has a molecular weight of 819.02 g/mol, XLogP of 16.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 118198554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).