2-N,9-N-bis(9,9-diphenylfluoren-1-yl)-4,14,14-trimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine

C84H62N2 — CID 130195103

IUPAC2-N,9-N-bis(9,9-diphenylfluoren-1-yl)-4,14,14-trimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine
SMILESCc1cc(N(c2ccccc2)c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cc3c4c(cc(N(c5ccccc5)c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc1c2c54)CCC3(C)C
InChIInChI=1S/C84H62N2/c1-55-52-75(85(61-36-18-8-19-37-61)73-46-26-42-66-64-40-22-24-44-70(64)83(80(66)73,57-28-10-4-11-29-57)58-30-12-5-13-31-58)69-54-72-77-56(50-51-82(72,2)3)53-76(68-49-48-63(55)78(69)79(68)77)86(62-38-20-9-21-39-62)74-47-27-43-67-65-41-23-25-45-71(65)84(81(67)74,59-32-14-6-15-33-59)60-34-16-7-17-35-60/h4-49,52-54H,50-51H2,1-3H3
InChIKeyBTFCSZRPVUSKPX-UHFFFAOYSA-N
MW1099.43 g/mol
LogP21.78
Rot. Bonds10

About 2-N,9-N-bis(9,9-diphenylfluoren-1-yl)-4,14,14-trimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine

2-N,9-N-bis(9,9-diphenylfluoren-1-yl)-4,14,14-trimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine (PubChem CID 130195103) has the molecular formula C84H62N2 and a molecular weight of 1099.43 g/mol. Its IUPAC name is 2-N,9-N-bis(9,9-diphenylfluoren-1-yl)-4,14,14-trimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine.

Molecular Properties

Compound Name2-N,9-N-bis(9,9-diphenylfluoren-1-yl)-4,14,14-trimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine
PubChem CID130195103
Molecular FormulaC84H62N2
Molecular Weight1099.43 g/mol
Exact Mass1098.49
IUPAC Name2-N,9-N-bis(9,9-diphenylfluoren-1-yl)-4,14,14-trimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine
SMILESCc1cc(N(c2ccccc2)c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cc3c4c(cc(N(c5ccccc5)c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc1c2c54)CCC3(C)C
InChIInChI=1S/C84H62N2/c1-55-52-75(85(61-36-18-8-19-37-61)73-46-26-42-66-64-40-22-24-44-70(64)83(80(66)73,57-28-10-4-11-29-57)58-30-12-5-13-31-58)69-54-72-77-56(50-51-82(72,2)3)53-76(68-49-48-63(55)78(69)79(68)77)86(62-38-20-9-21-39-62)74-47-27-43-67-65-41-23-25-45-71(65)84(81(67)74,59-32-14-6-15-33-59)60-34-16-7-17-35-60/h4-49,52-54H,50-51H2,1-3H3
InChIKeyBTFCSZRPVUSKPX-UHFFFAOYSA-N
XLogP21.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001099.43
LogP ≤ 521.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-N,9-N-bis(9,9-diphenylfluoren-1-yl)-4,14,14-trimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,9-N-bis(9,9-diphenylfluoren-1-yl)-4,14,14-trimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine?
The IUPAC name of 2-N,9-N-bis(9,9-diphenylfluoren-1-yl)-4,14,14-trimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine (CID 130195103) is 2-N,9-N-bis(9,9-diphenylfluoren-1-yl)-4,14,14-trimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine.
What is the SMILES notation for 2-N,9-N-bis(9,9-diphenylfluoren-1-yl)-4,14,14-trimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine?
The canonical SMILES for 2-N,9-N-bis(9,9-diphenylfluoren-1-yl)-4,14,14-trimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine is Cc1cc(N(c2ccccc2)c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cc3c4c(cc(N(c5ccccc5)c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc1c2c54)CCC3(C)C.
What is the InChIKey of 2-N,9-N-bis(9,9-diphenylfluoren-1-yl)-4,14,14-trimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine?
The InChIKey is BTFCSZRPVUSKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H62N2/c1-55-52-75(85(61-36-18-8-19-37-61)73-46-26-42-66-64-40-22-24-44-70(64)83(80(66)73,57-28-10-4-11-29-57)58-30-12-5-13-31-58)69-54-72-77-56(50-51-82(72,2)3)53-76(68-49-48-63(55)78(69)79(68)77)86(62-38-20-9-21-39-62)74-47-27-43-67-65-41-23-25-45-71(65)84(81(67)74,59-32-14-6-15-33-59)60-34-16-7-17-35-60/h4-49,52-54H,50-51H2,1-3H3.
What are the key properties of 2-N,9-N-bis(9,9-diphenylfluoren-1-yl)-4,14,14-trimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine?
2-N,9-N-bis(9,9-diphenylfluoren-1-yl)-4,14,14-trimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine has a molecular weight of 1099.43 g/mol, XLogP of 21.78, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,9-N-bis(9,9-diphenylfluoren-1-yl)-4,14,14-trimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine is sourced from PubChem (CID 130195103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).