N-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine

C52H31N — CID 167410701

IUPACN-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
SMILESc1ccc2c(N(c3ccc4c(ccc5ccccc54)c3)c3cc4ccc5cccc6c7cccc8ccc9cccc(c(c3)c4c56)c9c87)cccc2c1
InChIInChI=1S/C52H31N/c1-3-15-41-33(10-1)21-25-37-29-39(27-28-42(37)41)53(48-20-8-11-32-9-2-4-16-43(32)48)40-30-38-26-24-36-13-6-18-45-44-17-5-12-34-22-23-35-14-7-19-46(51(35)49(34)44)47(31-40)52(38)50(36)45/h1-31H/b45-44-,47-46-
InChIKeySPYUCNGBQJJKCW-IBWPKRNYSA-N
MW669.83 g/mol
LogP14.97
Rot. Bonds3

About N-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine

N-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine (PubChem CID 167410701) has the molecular formula C52H31N and a molecular weight of 669.83 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
PubChem CID167410701
Molecular FormulaC52H31N
Molecular Weight669.83 g/mol
Exact Mass669.25
IUPAC NameN-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
SMILESc1ccc2c(N(c3ccc4c(ccc5ccccc54)c3)c3cc4ccc5cccc6c7cccc8ccc9cccc(c(c3)c4c56)c9c87)cccc2c1
InChIInChI=1S/C52H31N/c1-3-15-41-33(10-1)21-25-37-29-39(27-28-42(37)41)53(48-20-8-11-32-9-2-4-16-43(32)48)40-30-38-26-24-36-13-6-18-45-44-17-5-12-34-22-23-35-14-7-19-46(51(35)49(34)44)47(31-40)52(38)50(36)45/h1-31H/b45-44-,47-46-
InChIKeySPYUCNGBQJJKCW-IBWPKRNYSA-N
XLogP14.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.83
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine with MolForge

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Related Compounds

N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine
CID 167413042
N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 167412869
2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine
CID 58807472
2-N-naphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-phenylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N,7-N-diphenylphenanthrene-2,7-diamine
CID 59754883
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754864
2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754912
N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-6-amine
CID 177100449
N-phenyl-N-(2-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167412210
2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 159424391
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167411998
naphthalene;2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 161142905
N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]phenanthren-2-yl]aniline;N,4-diphenyl-N-[4-[7-[4-(N-(4-phenylphenyl)anilino)phenyl]phenanthren-2-yl]phenyl]aniline;N-naphthalen-1-yl-7-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-N-phenylphenanthren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenanthren-2-yl]phenyl]aniline
CID 162152216

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine?
The IUPAC name of N-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine (CID 167410701) is N-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine?
The canonical SMILES for N-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine is c1ccc2c(N(c3ccc4c(ccc5ccccc54)c3)c3cc4ccc5cccc6c7cccc8ccc9cccc(c(c3)c4c56)c9c87)cccc2c1.
What is the InChIKey of N-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine?
The InChIKey is SPYUCNGBQJJKCW-IBWPKRNYSA-N. The full InChI is InChI=1S/C52H31N/c1-3-15-41-33(10-1)21-25-37-29-39(27-28-42(37)41)53(48-20-8-11-32-9-2-4-16-43(32)48)40-30-38-26-24-36-13-6-18-45-44-17-5-12-34-22-23-35-14-7-19-46(51(35)49(34)44)47(31-40)52(38)50(36)45/h1-31H/b45-44-,47-46-.
What are the key properties of N-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine?
N-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine has a molecular weight of 669.83 g/mol, XLogP of 14.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine is sourced from PubChem (CID 167410701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).