N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine

C52H40N2 — CID 70893350

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C6(C)C)cc3)cc21
InChIInChI=1S/C52H40N2/c1-51(2)44-16-8-7-14-40(44)41-28-23-36(31-47(41)51)34-20-24-37(25-21-34)53(38-26-22-33-12-5-6-13-35(33)30-38)39-27-29-48-43(32-39)42-15-11-18-46-50(42)54(48)49-19-10-9-17-45(49)52(46,3)4/h5-32H,1-4H3
InChIKeyQZZSTUJIQGROEW-UHFFFAOYSA-N
MW692.91 g/mol
LogP14.02
Rot. Bonds4

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine (PubChem CID 70893350) has the molecular formula C52H40N2 and a molecular weight of 692.91 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
PubChem CID70893350
Molecular FormulaC52H40N2
Molecular Weight692.91 g/mol
Exact Mass692.32
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C6(C)C)cc3)cc21
InChIInChI=1S/C52H40N2/c1-51(2)44-16-8-7-14-40(44)41-28-23-36(31-47(41)51)34-20-24-37(25-21-34)53(38-26-22-33-12-5-6-13-35(33)30-38)39-27-29-48-43(32-39)42-15-11-18-46-50(42)54(48)49-19-10-9-17-45(49)52(46,3)4/h5-32H,1-4H3
InChIKeyQZZSTUJIQGROEW-UHFFFAOYSA-N
XLogP14.02
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.91
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine with MolForge

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Related Compounds

N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 70893086
4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-N,N-dinaphthalen-2-ylnaphthalen-1-amine
CID 70893032
N-[4-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(12,12-diphenyl-1-azahexacyclo[11.10.1.02,11.04,9.017,24.018,23]tetracosa-2,4,6,8,10,13,15,17(24),18(23),19,21-undecaen-20-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 161236872
N-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70893084
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;N-[4-(11-naphthalen-1-ylbenzo[a]carbazol-8-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 160984128
N-[4-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121445356
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 59171726
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-13,13-dimethyl-10-naphthalen-1-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70885589
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 118289290
9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine;9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 157191208
13,13-dimethyl-N,N-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 67325570
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine (CID 70893350) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C6(C)C)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?
The InChIKey is QZZSTUJIQGROEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2/c1-51(2)44-16-8-7-14-40(44)41-28-23-36(31-47(41)51)34-20-24-37(25-21-34)53(38-26-22-33-12-5-6-13-35(33)30-38)39-27-29-48-43(32-39)42-15-11-18-46-50(42)54(48)49-19-10-9-17-45(49)52(46,3)4/h5-32H,1-4H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine has a molecular weight of 692.91 g/mol, XLogP of 14.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13,13-dimethyl-N-naphthalen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine is sourced from PubChem (CID 70893350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).