9,9-dimethyl-N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]fluoren-2-amine

C65H47N3 — CID 129133864

IUPAC9,9-dimethyl-N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]fluoren-2-amine

SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4cccc6cccc(c46)N5c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3cccc4ccccc34)cc21

InChIInChI=1S/C65H47N3/c1-65(2)59-27-12-11-25-55(59)56-40-39-53(43-60(56)65)67(61-28-14-17-45-16-9-10-24-54(45)61)51-33-30-44(31-34-51)47-32-41-62-58(42-47)57-26-13-18-46-19-15-29-63(64(46)57)68(62)52-37-35-50(36-38-52)66(48-20-5-3-6-21-48)49-22-7-4-8-23-49/h3-43H,1-2H3

InChIKeyKKOIUZCWDBWSHS-UHFFFAOYSA-N

MW870.11 g/mol

LogP18.36

Rot. Bonds8

About 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]fluoren-2-amine

9,9-dimethyl-N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]fluoren-2-amine (PubChem CID 129133864) has the molecular formula C65H47N3 and a molecular weight of 870.11 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name	9,9-dimethyl-N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]fluoren-2-amine
PubChem CID	129133864
Molecular Formula	C65H47N3
Molecular Weight	870.11 g/mol
Exact Mass	869.38
IUPAC Name	9,9-dimethyl-N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]fluoren-2-amine
SMILES	CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4cccc6cccc(c46)N5c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3cccc4ccccc34)cc21
InChI	InChI=1S/C65H47N3/c1-65(2)59-27-12-11-25-55(59)56-40-39-53(43-60(56)65)67(61-28-14-17-45-16-9-10-24-54(45)61)51-33-30-44(31-34-51)47-32-41-62-58(42-47)57-26-13-18-46-19-15-29-63(64(46)57)68(62)52-37-35-50(36-38-52)66(48-20-5-3-6-21-48)49-22-7-4-8-23-49/h3-43H,1-2H3
InChIKey	KKOIUZCWDBWSHS-UHFFFAOYSA-N
XLogP	18.36
TPSA	9.72 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	8
Heavy Atoms	68
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.11
LogP ≤ 5	18.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]fluoren-2-amine (CID 129133864) is 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4cccc6cccc(c46)N5c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3cccc4ccccc34)cc21.

What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]fluoren-2-amine?

The InChIKey is KKOIUZCWDBWSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47N3/c1-65(2)59-27-12-11-25-55(59)56-40-39-53(43-60(56)65)67(61-28-14-17-45-16-9-10-24-54(45)61)51-33-30-44(31-34-51)47-32-41-62-58(42-47)57-26-13-18-46-19-15-29-63(64(46)57)68(62)52-37-35-50(36-38-52)66(48-20-5-3-6-21-48)49-22-7-4-8-23-49/h3-43H,1-2H3.

What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]fluoren-2-amine?

9,9-dimethyl-N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]fluoren-2-amine has a molecular weight of 870.11 g/mol, XLogP of 18.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 129133864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).