N-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine

C63H42N2 — CID 146508899

IUPACN-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine
SMILESc1ccc(-c2c3c4cccc(-c5ccc(N(c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c6ccc7ccccc7c6)cc5)c4ccc3n3ccccc23)cc1
InChIInChI=1S/C63H42N2/c1-4-18-45(19-5-1)61-59-29-14-15-40-64(59)60-39-38-53-52(26-16-27-56(53)62(60)61)44-31-33-49(34-32-44)65(50-35-30-43-17-10-11-20-46(43)41-50)51-36-37-55-54-25-12-13-28-57(54)63(58(55)42-51,47-21-6-2-7-22-47)48-23-8-3-9-24-48/h1-42H
InChIKeyNSHBPXKZMPMDGN-UHFFFAOYSA-N
MW827.04 g/mol
LogP16.57
Rot. Bonds7

About N-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine

N-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine (PubChem CID 146508899) has the molecular formula C63H42N2 and a molecular weight of 827.04 g/mol. Its IUPAC name is N-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine
PubChem CID146508899
Molecular FormulaC63H42N2
Molecular Weight827.04 g/mol
Exact Mass826.33
IUPAC NameN-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine
SMILESc1ccc(-c2c3c4cccc(-c5ccc(N(c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c6ccc7ccccc7c6)cc5)c4ccc3n3ccccc23)cc1
InChIInChI=1S/C63H42N2/c1-4-18-45(19-5-1)61-59-29-14-15-40-64(59)60-39-38-53-52(26-16-27-56(53)62(60)61)44-31-33-49(34-32-44)65(50-35-30-43-17-10-11-20-46(43)41-50)51-36-37-55-54-25-12-13-28-57(54)63(58(55)42-51,47-21-6-2-7-22-47)48-23-8-3-9-24-48/h1-42H
InChIKeyNSHBPXKZMPMDGN-UHFFFAOYSA-N
XLogP16.57
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.04
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,9,9-triphenyl-N-[3-(12-phenylnaphtho[1,2-b]indolizin-1-yl)phenyl]fluoren-2-amine
CID 146508842
N-dibenzofuran-3-yl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]dibenzofuran-3-amine;N-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]dibenzothiophen-4-amine;4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 159943101
N,9,9-triphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]fluoren-2-amine
CID 146508618
N-phenanthren-2-yl-N-[4-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine
CID 161243303
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-12-phenylindolo[1,2-b]isoquinolin-8-amine
CID 146508991
N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine
CID 162017725
N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169064351
N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159070500
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N,9,9-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine
CID 146631646
9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159629958

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine (CID 146508899) is N-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine is c1ccc(-c2c3c4cccc(-c5ccc(N(c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c6ccc7ccccc7c6)cc5)c4ccc3n3ccccc23)cc1.
What is the InChIKey of N-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine?
The InChIKey is NSHBPXKZMPMDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2/c1-4-18-45(19-5-1)61-59-29-14-15-40-64(59)60-39-38-53-52(26-16-27-56(53)62(60)61)44-31-33-49(34-32-44)65(50-35-30-43-17-10-11-20-46(43)41-50)51-36-37-55-54-25-12-13-28-57(54)63(58(55)42-51,47-21-6-2-7-22-47)48-23-8-3-9-24-48/h1-42H.
What are the key properties of N-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine?
N-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine has a molecular weight of 827.04 g/mol, XLogP of 16.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 146508899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).