N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

C52H35NO — CID 139435620

IUPACN-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6c(cccc46)Cc4cccc6cccc(c46)C5)cc3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C52H35NO/c1-2-10-34(11-3-1)35-22-27-42(28-23-35)53(48-20-9-19-47-45-17-4-5-21-49(45)54-52(47)48)43-29-24-36(25-30-43)44-31-26-41-33-39-15-7-13-37-12-6-14-38(50(37)39)32-40-16-8-18-46(44)51(40)41/h1-31H,32-33H2
InChIKeyUQQWEKWYCBHZMN-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.19
Rot. Bonds5

About N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 139435620) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID139435620
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6c(cccc46)Cc4cccc6cccc(c46)C5)cc3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C52H35NO/c1-2-10-34(11-3-1)35-22-27-42(28-23-35)53(48-20-9-19-47-45-17-4-5-21-49(45)54-52(47)48)43-29-24-36(25-30-43)44-31-26-41-33-39-15-7-13-37-12-6-14-38(50(37)39)32-40-16-8-18-46(44)51(40)41/h1-31H,32-33H2
InChIKeyUQQWEKWYCBHZMN-UHFFFAOYSA-N
XLogP14.19
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine with MolForge

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Related Compounds

N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 122592278
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012296
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 172503187
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139297889
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804081
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-4-amine
CID 135271698
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 139435620) is N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6c(cccc46)Cc4cccc6cccc(c46)C5)cc3)c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is UQQWEKWYCBHZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-2-10-34(11-3-1)35-22-27-42(28-23-35)53(48-20-9-19-47-45-17-4-5-21-49(45)54-52(47)48)43-29-24-36(25-30-43)44-31-26-41-33-39-15-7-13-37-12-6-14-38(50(37)39)32-40-16-8-18-46(44)51(40)41/h1-31H,32-33H2.
What are the key properties of N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 689.86 g/mol, XLogP of 14.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7,9,11(22),13,15,17(21),18-decaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 139435620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).