CID 163750007

C72H45N — CID 163750007

IUPAC—
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cccc3c2-c2c1cccc2C31c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C72H45N/c1-42-30-34-47-48-35-31-43(2)39-62(48)71(61(47)38-42)57-24-14-26-59-69(57)70-58(71)25-15-27-60(70)72(59)63-40-45(68-55-22-8-6-20-53(55)67(44-16-4-3-5-17-44)54-21-7-9-23-56(54)68)32-36-49(63)50-37-33-46(41-64(50)72)73-65-28-12-10-18-51(65)52-19-11-13-29-66(52)73/h3-41H,1-2H3
InChIKeyLPEQIEXSMXQVEP-UHFFFAOYSA-N
MW924.16 g/mol
LogP18.06
Rot. Bonds3

About CID 163750007

CID 163750007 (PubChem CID 163750007) has the molecular formula C72H45N and a molecular weight of 924.16 g/mol.

Molecular Properties

Compound NameCID 163750007
PubChem CID163750007
Molecular FormulaC72H45N
Molecular Weight924.16 g/mol
Exact Mass923.36
IUPAC Name—
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cccc3c2-c2c1cccc2C31c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C72H45N/c1-42-30-34-47-48-35-31-43(2)39-62(48)71(61(47)38-42)57-24-14-26-59-69(57)70-58(71)25-15-27-60(70)72(59)63-40-45(68-55-22-8-6-20-53(55)67(44-16-4-3-5-17-44)54-21-7-9-23-56(54)68)32-36-49(63)50-37-33-46(41-64(50)72)73-65-28-12-10-18-51(65)52-19-11-13-29-66(52)73/h3-41H,1-2H3
InChIKeyLPEQIEXSMXQVEP-UHFFFAOYSA-N
XLogP18.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.16
LogP ≤ 518.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 59844582
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159365234
3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 157052187
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole
CID 134440451
9-(9,9-diphenylfluoren-2-yl)-2-[3-(3-methylphenyl)phenyl]carbazole
CID 90215950
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581
3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 90215122

Frequently Asked Questions

What is the IUPAC name of CID 163750007?
The IUPAC name of CID 163750007 (CID 163750007) is not available.
What is the SMILES notation for CID 163750007?
The canonical SMILES for CID 163750007 is Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cccc3c2-c2c1cccc2C31c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of CID 163750007?
The InChIKey is LPEQIEXSMXQVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H45N/c1-42-30-34-47-48-35-31-43(2)39-62(48)71(61(47)38-42)57-24-14-26-59-69(57)70-58(71)25-15-27-60(70)72(59)63-40-45(68-55-22-8-6-20-53(55)67(44-16-4-3-5-17-44)54-21-7-9-23-56(54)68)32-36-49(63)50-37-33-46(41-64(50)72)73-65-28-12-10-18-51(65)52-19-11-13-29-66(52)73/h3-41H,1-2H3.
What are the key properties of CID 163750007?
CID 163750007 has a molecular weight of 924.16 g/mol, XLogP of 18.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163750007 is sourced from PubChem (CID 163750007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).