N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine

C66H45N — CID 130290726

IUPACN-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
SMILESCC1(C)c2c(ccc3ccccc23)-c2ccc3cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5c6ccccc6c6ccccc6c5c4)ccc3c21
InChIInChI=1S/C66H45N/c1-65(2)63-49-22-10-9-17-42(49)29-34-58(63)59-35-30-43-39-46(31-36-50(43)64(59)65)67(47-32-37-55-53-25-12-11-23-51(53)52-24-13-14-26-54(52)60(55)40-47)48-33-38-57-56-27-15-16-28-61(56)66(62(57)41-48,44-18-5-3-6-19-44)45-20-7-4-8-21-45/h3-41H,1-2H3
InChIKeyNHPCWKDRBTXGHS-UHFFFAOYSA-N
MW852.09 g/mol
LogP17.59
Rot. Bonds5

About N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine

N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine (PubChem CID 130290726) has the molecular formula C66H45N and a molecular weight of 852.09 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
PubChem CID130290726
Molecular FormulaC66H45N
Molecular Weight852.09 g/mol
Exact Mass851.36
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
SMILESCC1(C)c2c(ccc3ccccc23)-c2ccc3cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5c6ccccc6c6ccccc6c5c4)ccc3c21
InChIInChI=1S/C66H45N/c1-65(2)63-49-22-10-9-17-42(49)29-34-58(63)59-35-30-43-39-46(31-36-50(43)64(59)65)67(47-32-37-55-53-25-12-11-23-51(53)52-24-13-14-26-54(52)60(55)40-47)48-33-38-57-56-27-15-16-28-61(56)66(62(57)41-48,44-18-5-3-6-19-44)45-20-7-4-8-21-45/h3-41H,1-2H3
InChIKeyNHPCWKDRBTXGHS-UHFFFAOYSA-N
XLogP17.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.09
LogP ≤ 517.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[a]fluoren-9-amine
CID 155297463
N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine
CID 135303377
N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
CID 135299595
N,N-bis(4-phenanthren-2-ylphenyl)triphenylen-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 163978822
N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
CID 166732688
N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481221
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine
CID 164748052
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)triphenylen-2-amine
CID 142567575
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine
CID 170372746
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130290148
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 122470062
N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
CID 170139827

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine (CID 130290726) is N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine is CC1(C)c2c(ccc3ccccc23)-c2ccc3cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5c6ccccc6c6ccccc6c5c4)ccc3c21.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine?
The InChIKey is NHPCWKDRBTXGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N/c1-65(2)63-49-22-10-9-17-42(49)29-34-58(63)59-35-30-43-39-46(31-36-50(43)64(59)65)67(47-32-37-55-53-25-12-11-23-51(53)52-24-13-14-26-54(52)60(55)40-47)48-33-38-57-56-27-15-16-28-61(56)66(62(57)41-48,44-18-5-3-6-19-44)45-20-7-4-8-21-45/h3-41H,1-2H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine?
N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine has a molecular weight of 852.09 g/mol, XLogP of 17.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine is sourced from PubChem (CID 130290726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).