N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine

C57H37N — CID 166031981

IUPACN-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)-c3cc4ccccc4cc3-5)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C57H37N/c1-4-15-38(16-5-1)39-27-30-46(31-28-39)58(47-32-29-42-36-51-49-34-40-17-10-11-18-41(40)35-50(49)52(51)37-43(42)33-47)55-26-14-25-54-56(55)48-23-12-13-24-53(48)57(54,44-19-6-2-7-20-44)45-21-8-3-9-22-45/h1-37H
InChIKeyVUKTVKCSKKWNPR-UHFFFAOYSA-N
MW735.93 g/mol
LogP15.14
Rot. Bonds6

About N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine

N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine (PubChem CID 166031981) has the molecular formula C57H37N and a molecular weight of 735.93 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
PubChem CID166031981
Molecular FormulaC57H37N
Molecular Weight735.93 g/mol
Exact Mass735.29
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)-c3cc4ccccc4cc3-5)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C57H37N/c1-4-15-38(16-5-1)39-27-30-46(31-28-39)58(47-32-29-42-36-51-49-34-40-17-10-11-18-41(40)35-50(49)52(51)37-43(42)33-47)55-26-14-25-54-56(55)48-23-12-13-24-53(48)57(54,44-19-6-2-7-20-44)45-21-8-3-9-22-45/h1-37H
InChIKeyVUKTVKCSKKWNPR-UHFFFAOYSA-N
XLogP15.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.93
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine with MolForge

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Related Compounds

9,9-diphenyl-N-(4-phenylphenyl)-N-[7-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine
CID 166497792
N-(4-naphthalen-2-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019576
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 167271873
N-naphthalen-2-yl-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121464393
N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine
CID 155645010
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 121464380
N-(9,9-diphenylfluoren-4-yl)-16-phenyl-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine
CID 166032156
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 166566442
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine
CID 169065379
N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020516
4'-phenyl-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258808
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020362

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine (CID 166031981) is N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine is c1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)-c3cc4ccccc4cc3-5)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine?
The InChIKey is VUKTVKCSKKWNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N/c1-4-15-38(16-5-1)39-27-30-46(31-28-39)58(47-32-29-42-36-51-49-34-40-17-10-11-18-41(40)35-50(49)52(51)37-43(42)33-47)55-26-14-25-54-56(55)48-23-12-13-24-53(48)57(54,44-19-6-2-7-20-44)45-21-8-3-9-22-45/h1-37H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine?
N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine has a molecular weight of 735.93 g/mol, XLogP of 15.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine is sourced from PubChem (CID 166031981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).