6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine

C82H54N2 — CID 166033580

IUPAC6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3cc4c(cc3c2)-c2cc3ccc(N(c5ccccc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc3cc2-4)cc1
InChIInChI=1S/C82H54N2/c1-7-23-59(24-8-1)81(60-25-9-2-10-26-60)77-37-21-19-35-69(77)71-45-43-67(53-79(71)81)83(63-31-15-5-16-32-63)65-41-39-55-49-73-75(51-57(55)47-65)74-50-56-40-42-66(48-58(56)52-76(73)74)84(64-33-17-6-18-34-64)68-44-46-72-70-36-20-22-38-78(70)82(80(72)54-68,61-27-11-3-12-28-61)62-29-13-4-14-30-62/h1-54H
InChIKeyJCNFKGMDUXSTBK-UHFFFAOYSA-N
MW1067.35 g/mol
LogP21.31
Rot. Bonds10

About 6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine

6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine (PubChem CID 166033580) has the molecular formula C82H54N2 and a molecular weight of 1067.35 g/mol. Its IUPAC name is 6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine.

Molecular Properties

Compound Name6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
PubChem CID166033580
Molecular FormulaC82H54N2
Molecular Weight1067.35 g/mol
Exact Mass1066.43
IUPAC Name6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3cc4c(cc3c2)-c2cc3ccc(N(c5ccccc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc3cc2-4)cc1
InChIInChI=1S/C82H54N2/c1-7-23-59(24-8-1)81(60-25-9-2-10-26-60)77-37-21-19-35-69(77)71-45-43-67(53-79(71)81)83(63-31-15-5-16-32-63)65-41-39-55-49-73-75(51-57(55)47-65)74-50-56-40-42-66(48-58(56)52-76(73)74)84(64-33-17-6-18-34-64)68-44-46-72-70-36-20-22-38-78(70)82(80(72)54-68,61-27-11-3-12-28-61)62-29-13-4-14-30-62/h1-54H
InChIKeyJCNFKGMDUXSTBK-UHFFFAOYSA-N
XLogP21.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001067.35
LogP ≤ 521.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
17-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032529
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 58988737
N-(9,9-diphenylfluoren-3-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121423646
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 88867924
N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine
CID 139762369
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
N-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
CID 177098438

Frequently Asked Questions

What is the IUPAC name of 6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine?
The IUPAC name of 6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine (CID 166033580) is 6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine.
What is the SMILES notation for 6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine?
The canonical SMILES for 6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine is c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3cc4c(cc3c2)-c2cc3ccc(N(c5ccccc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc3cc2-4)cc1.
What is the InChIKey of 6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine?
The InChIKey is JCNFKGMDUXSTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H54N2/c1-7-23-59(24-8-1)81(60-25-9-2-10-26-60)77-37-21-19-35-69(77)71-45-43-67(53-79(71)81)83(63-31-15-5-16-32-63)65-41-39-55-49-73-75(51-57(55)47-65)74-50-56-40-42-66(48-58(56)52-76(73)74)84(64-33-17-6-18-34-64)68-44-46-72-70-36-20-22-38-78(70)82(80(72)54-68,61-27-11-3-12-28-61)62-29-13-4-14-30-62/h1-54H.
What are the key properties of 6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine?
6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine has a molecular weight of 1067.35 g/mol, XLogP of 21.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine is sourced from PubChem (CID 166033580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).