N,10-diphenyl-N-[2-[8-(7-phenyl-3,4-dihydrobenzo[c]carbazol-11-yl)naphthalen-1-yl]phenyl]anthracen-9-amine

C64H44N2 — CID 170093401

IUPACN,10-diphenyl-N-[2-[8-(7-phenyl-3,4-dihydrobenzo[c]carbazol-11-yl)naphthalen-1-yl]phenyl]anthracen-9-amine
SMILESC1=Cc2c(ccc3c2c2c(-c4cccc5cccc(-c6ccccc6N(c6ccccc6)c6c7ccccc7c(-c7ccccc7)c7ccccc67)c45)cccc2n3-c2ccccc2)CC1
InChIInChI=1S/C64H44N2/c1-4-22-44(23-5-1)61-53-32-12-14-34-55(53)64(56-35-15-13-33-54(56)61)66(47-28-8-3-9-29-47)57-39-17-16-31-49(57)50-36-18-24-45-25-19-37-51(60(45)50)52-38-20-40-58-63(52)62-48-30-11-10-21-43(48)41-42-59(62)65(58)46-26-6-2-7-27-46/h1-9,11-20,22-42H,10,21H2
InChIKeyRGVUKIOFYQDXQZ-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.67
Rot. Bonds7

About N,10-diphenyl-N-[2-[8-(7-phenyl-3,4-dihydrobenzo[c]carbazol-11-yl)naphthalen-1-yl]phenyl]anthracen-9-amine

N,10-diphenyl-N-[2-[8-(7-phenyl-3,4-dihydrobenzo[c]carbazol-11-yl)naphthalen-1-yl]phenyl]anthracen-9-amine (PubChem CID 170093401) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is N,10-diphenyl-N-[2-[8-(7-phenyl-3,4-dihydrobenzo[c]carbazol-11-yl)naphthalen-1-yl]phenyl]anthracen-9-amine.

Molecular Properties

Compound NameN,10-diphenyl-N-[2-[8-(7-phenyl-3,4-dihydrobenzo[c]carbazol-11-yl)naphthalen-1-yl]phenyl]anthracen-9-amine
PubChem CID170093401
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC NameN,10-diphenyl-N-[2-[8-(7-phenyl-3,4-dihydrobenzo[c]carbazol-11-yl)naphthalen-1-yl]phenyl]anthracen-9-amine
SMILESC1=Cc2c(ccc3c2c2c(-c4cccc5cccc(-c6ccccc6N(c6ccccc6)c6c7ccccc7c(-c7ccccc7)c7ccccc67)c45)cccc2n3-c2ccccc2)CC1
InChIInChI=1S/C64H44N2/c1-4-22-44(23-5-1)61-53-32-12-14-34-55(53)64(56-35-15-13-33-54(56)61)66(47-28-8-3-9-29-47)57-39-17-16-31-49(57)50-36-18-24-45-25-19-37-51(60(45)50)52-38-20-40-58-63(52)62-48-30-11-10-21-43(48)41-42-59(62)65(58)46-26-6-2-7-27-46/h1-9,11-20,22-42H,10,21H2
InChIKeyRGVUKIOFYQDXQZ-UHFFFAOYSA-N
XLogP17.67
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.07
LogP ≤ 517.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 167222301
23-[4-(10-phenylanthracen-9-yl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
CID 155429764
N,7-diphenyl-N-[4-(4-phenylphenyl)phenyl]-3,4-dihydrobenzo[g]carbazol-9-amine
CID 145362267
N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297416
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303156
N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016116
N-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine
CID 163812576
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine
CID 166660616
N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195728
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170297250
N,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine
CID 155305653
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303084

Frequently Asked Questions

What is the IUPAC name of N,10-diphenyl-N-[2-[8-(7-phenyl-3,4-dihydrobenzo[c]carbazol-11-yl)naphthalen-1-yl]phenyl]anthracen-9-amine?
The IUPAC name of N,10-diphenyl-N-[2-[8-(7-phenyl-3,4-dihydrobenzo[c]carbazol-11-yl)naphthalen-1-yl]phenyl]anthracen-9-amine (CID 170093401) is N,10-diphenyl-N-[2-[8-(7-phenyl-3,4-dihydrobenzo[c]carbazol-11-yl)naphthalen-1-yl]phenyl]anthracen-9-amine.
What is the SMILES notation for N,10-diphenyl-N-[2-[8-(7-phenyl-3,4-dihydrobenzo[c]carbazol-11-yl)naphthalen-1-yl]phenyl]anthracen-9-amine?
The canonical SMILES for N,10-diphenyl-N-[2-[8-(7-phenyl-3,4-dihydrobenzo[c]carbazol-11-yl)naphthalen-1-yl]phenyl]anthracen-9-amine is C1=Cc2c(ccc3c2c2c(-c4cccc5cccc(-c6ccccc6N(c6ccccc6)c6c7ccccc7c(-c7ccccc7)c7ccccc67)c45)cccc2n3-c2ccccc2)CC1.
What is the InChIKey of N,10-diphenyl-N-[2-[8-(7-phenyl-3,4-dihydrobenzo[c]carbazol-11-yl)naphthalen-1-yl]phenyl]anthracen-9-amine?
The InChIKey is RGVUKIOFYQDXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-4-22-44(23-5-1)61-53-32-12-14-34-55(53)64(56-35-15-13-33-54(56)61)66(47-28-8-3-9-29-47)57-39-17-16-31-49(57)50-36-18-24-45-25-19-37-51(60(45)50)52-38-20-40-58-63(52)62-48-30-11-10-21-43(48)41-42-59(62)65(58)46-26-6-2-7-27-46/h1-9,11-20,22-42H,10,21H2.
What are the key properties of N,10-diphenyl-N-[2-[8-(7-phenyl-3,4-dihydrobenzo[c]carbazol-11-yl)naphthalen-1-yl]phenyl]anthracen-9-amine?
N,10-diphenyl-N-[2-[8-(7-phenyl-3,4-dihydrobenzo[c]carbazol-11-yl)naphthalen-1-yl]phenyl]anthracen-9-amine has a molecular weight of 841.07 g/mol, XLogP of 17.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,10-diphenyl-N-[2-[8-(7-phenyl-3,4-dihydrobenzo[c]carbazol-11-yl)naphthalen-1-yl]phenyl]anthracen-9-amine is sourced from PubChem (CID 170093401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).