N-phenyl-N-[4-[7-(8,8,14,14-tetramethyl-1,12,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)-9H-fluoren-2-yl]phenyl]naphthalen-2-amine

C53H42N4 — CID 146652921

IUPACN-phenyl-N-[4-[7-(8,8,14,14-tetramethyl-1,12,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)-9H-fluoren-2-yl]phenyl]naphthalen-2-amine
SMILESCC1(C)N=C(c2ccc3c(c2)Cc2cc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)ccc2-3)N2c3ccccc3C(C)(C)c3ccnc1c32
InChIInChI=1S/C53H42N4/c1-52(2)46-16-10-11-17-48(46)57-49-47(52)28-29-54-50(49)53(3,4)55-51(57)38-22-27-45-40(31-38)32-39-30-37(21-26-44(39)45)35-18-23-42(24-19-35)56(41-14-6-5-7-15-41)43-25-20-34-12-8-9-13-36(34)33-43/h5-31,33H,32H2,1-4H3
InChIKeyJLZNZQWYVLCPDZ-UHFFFAOYSA-N
MW734.95 g/mol
LogP13.42
Rot. Bonds5

About N-phenyl-N-[4-[7-(8,8,14,14-tetramethyl-1,12,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)-9H-fluoren-2-yl]phenyl]naphthalen-2-amine

N-phenyl-N-[4-[7-(8,8,14,14-tetramethyl-1,12,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)-9H-fluoren-2-yl]phenyl]naphthalen-2-amine (PubChem CID 146652921) has the molecular formula C53H42N4 and a molecular weight of 734.95 g/mol. Its IUPAC name is N-phenyl-N-[4-[7-(8,8,14,14-tetramethyl-1,12,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)-9H-fluoren-2-yl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[7-(8,8,14,14-tetramethyl-1,12,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)-9H-fluoren-2-yl]phenyl]naphthalen-2-amine
PubChem CID146652921
Molecular FormulaC53H42N4
Molecular Weight734.95 g/mol
Exact Mass734.34
IUPAC NameN-phenyl-N-[4-[7-(8,8,14,14-tetramethyl-1,12,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)-9H-fluoren-2-yl]phenyl]naphthalen-2-amine
SMILESCC1(C)N=C(c2ccc3c(c2)Cc2cc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)ccc2-3)N2c3ccccc3C(C)(C)c3ccnc1c32
InChIInChI=1S/C53H42N4/c1-52(2)46-16-10-11-17-48(46)57-49-47(52)28-29-54-50(49)53(3,4)55-51(57)38-22-27-45-40(31-38)32-39-30-37(21-26-44(39)45)35-18-23-42(24-19-35)56(41-14-6-5-7-15-41)43-25-20-34-12-8-9-13-36(34)33-43/h5-31,33H,32H2,1-4H3
InChIKeyJLZNZQWYVLCPDZ-UHFFFAOYSA-N
XLogP13.42
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.95
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-phenyl-N-[4-[7-(8,8,14,14-tetramethyl-1,12,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)-9H-fluoren-2-yl]phenyl]naphthalen-2-amine with MolForge

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Related Compounds

N,N-diphenyl-4-[7-(8,8,14,14-tetramethyl-1,12,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)phenanthren-2-yl]aniline
CID 163421699
4-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-[4-[8,8,14,14-tetramethyl-11-[6-[4-(4-naphthalen-2-yl-N-[4-(8,8,14,14-tetramethyl-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)phenyl]anilino)phenyl]naphthalen-1-yl]-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl]phenyl]aniline
CID 158936028
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
N-naphthalen-2-yl-N-phenyl-5-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-1-amine
CID 70893250
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411
9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428412
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]fluoren-2-amine
CID 58489858
8,8-dimethyl-N-naphthalen-2-yl-16-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
CID 118633477
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
8,8,14,14-tetramethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 70892954

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[7-(8,8,14,14-tetramethyl-1,12,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)-9H-fluoren-2-yl]phenyl]naphthalen-2-amine?
The IUPAC name of N-phenyl-N-[4-[7-(8,8,14,14-tetramethyl-1,12,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)-9H-fluoren-2-yl]phenyl]naphthalen-2-amine (CID 146652921) is N-phenyl-N-[4-[7-(8,8,14,14-tetramethyl-1,12,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)-9H-fluoren-2-yl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[7-(8,8,14,14-tetramethyl-1,12,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)-9H-fluoren-2-yl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-phenyl-N-[4-[7-(8,8,14,14-tetramethyl-1,12,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)-9H-fluoren-2-yl]phenyl]naphthalen-2-amine is CC1(C)N=C(c2ccc3c(c2)Cc2cc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)ccc2-3)N2c3ccccc3C(C)(C)c3ccnc1c32.
What is the InChIKey of N-phenyl-N-[4-[7-(8,8,14,14-tetramethyl-1,12,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)-9H-fluoren-2-yl]phenyl]naphthalen-2-amine?
The InChIKey is JLZNZQWYVLCPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42N4/c1-52(2)46-16-10-11-17-48(46)57-49-47(52)28-29-54-50(49)53(3,4)55-51(57)38-22-27-45-40(31-38)32-39-30-37(21-26-44(39)45)35-18-23-42(24-19-35)56(41-14-6-5-7-15-41)43-25-20-34-12-8-9-13-36(34)33-43/h5-31,33H,32H2,1-4H3.
What are the key properties of N-phenyl-N-[4-[7-(8,8,14,14-tetramethyl-1,12,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)-9H-fluoren-2-yl]phenyl]naphthalen-2-amine?
N-phenyl-N-[4-[7-(8,8,14,14-tetramethyl-1,12,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)-9H-fluoren-2-yl]phenyl]naphthalen-2-amine has a molecular weight of 734.95 g/mol, XLogP of 13.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[7-(8,8,14,14-tetramethyl-1,12,15-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)-9H-fluoren-2-yl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 146652921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).