N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine

C60H45N — CID 130290740

IUPACN-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
SMILESCC1(C)c2cc3ccccc3cc2-c2cc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccc6ccccc6c4-5)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3cc21
InChIInChI=1S/C60H45N/c1-59(2)53-31-27-40-16-10-11-20-49(40)58(53)50-30-29-47(37-56(50)59)61(57-21-13-12-19-48(57)41-24-22-39(23-25-41)38-14-6-5-7-15-38)46-28-26-44-34-52-51-33-42-17-8-9-18-43(42)35-54(51)60(3,4)55(52)36-45(44)32-46/h5-37H,1-4H3
InChIKeyCDXMOQLWKVMENM-UHFFFAOYSA-N
MW780.03 g/mol
LogP16.56
Rot. Bonds5

About N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine

N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine (PubChem CID 130290740) has the molecular formula C60H45N and a molecular weight of 780.03 g/mol. Its IUPAC name is N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine.

Molecular Properties

Compound NameN-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
PubChem CID130290740
Molecular FormulaC60H45N
Molecular Weight780.03 g/mol
Exact Mass779.36
IUPAC NameN-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
SMILESCC1(C)c2cc3ccccc3cc2-c2cc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccc6ccccc6c4-5)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3cc21
InChIInChI=1S/C60H45N/c1-59(2)53-31-27-40-16-10-11-20-49(40)58(53)50-30-29-47(37-56(50)59)61(57-21-13-12-19-48(57)41-24-22-39(23-25-41)38-14-6-5-7-15-38)46-28-26-44-34-52-51-33-42-17-8-9-18-43(42)35-54(51)60(3,4)55(52)36-45(44)32-46/h5-37H,1-4H3
InChIKeyCDXMOQLWKVMENM-UHFFFAOYSA-N
XLogP16.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.03
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine with MolForge

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Related Compounds

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-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290160
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290737
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-[2-(4-phenylphenyl)phenyl]pentacyclo[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 130289942
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(2-phenylphenyl)anthracen-2-amine
CID 121321764
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine
CID 169285223
7-N',17-N'-diphenyl-7-N',17-N'-bis(2-phenylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137493452
9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611810
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12,22,22-tetramethyl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 130290138
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290624
9,9-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170417611
7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 121321506
7,7-dimethyl-1-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]phenalen-9-amine
CID 167232028

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine?
The IUPAC name of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine (CID 130290740) is N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine.
What is the SMILES notation for N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine?
The canonical SMILES for N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine is CC1(C)c2cc3ccccc3cc2-c2cc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccc6ccccc6c4-5)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3cc21.
What is the InChIKey of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine?
The InChIKey is CDXMOQLWKVMENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45N/c1-59(2)53-31-27-40-16-10-11-20-49(40)58(53)50-30-29-47(37-56(50)59)61(57-21-13-12-19-48(57)41-24-22-39(23-25-41)38-14-6-5-7-15-38)46-28-26-44-34-52-51-33-42-17-8-9-18-43(42)35-54(51)60(3,4)55(52)36-45(44)32-46/h5-37H,1-4H3.
What are the key properties of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine?
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine has a molecular weight of 780.03 g/mol, XLogP of 16.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine is sourced from PubChem (CID 130290740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).